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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Apr-2026	FeMo-2H2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2776.41588895; Eh
	9-Apr-2026	V-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2962.21901945; Eh
	9-Apr-2026	Mo-sideon	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2883.54554160; Eh
	9-Apr-2026	TS6-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-3072.76121506; Eh
	9-Apr-2026	I-Ru	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2855.71399835; Eh
	9-Apr-2026	V-Co	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UPBEPBE	SDD 6-31G* GENECP*	-2907.76399735; Eh
	9-Apr-2026	V-Ru	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2856.88385516; Eh
	9-Apr-2026	TS2-2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UPBEPBE	SDD 6-31G* GENECP*	-2885.79876787; Eh
	9-Apr-2026	VI-a-N2-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-3072.78531732; Eh
	9-Apr-2026	3FeMo-H2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UPBEPBE	SDD 6-31G* GENECP*	-2775.26003195; Eh

Results 2791-2800 of 2835 (Search time: 0.002 seconds).